1.0 2010-04-08 22:12:51 UTC 2025-11-19 01:52:18 UTC FDB017140 Procyanidin dimer B2 3'-gallate Isolated from Thea sinensis (tea). Procyanidin dimer B2 3'-gallate is found in tea and common grape. 3'-Galloylprocyanidin B2 Procyanidin dimer B2 3'-gallate Procyanidin dimer B2 3'-O-gallate C37H30O16 730.6245 730.153384912 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2=C1OC(C(C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1 InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2 VLFKNLZNDSEVBZ-UHFFFAOYSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers B-type proanthocyanidins Benzoyl derivatives Carboxylic acid esters Catechin gallates Catechols Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound B-type proanthocyanidin Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Bi- and polyflavonoid skeleton Carboxylic acid derivative Carboxylic acid ester Catechin Catechin gallate Catechol Chromane Ether Flavan Flavan-3-ol Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Proanthocyanidin Pyrogallol derivative Secondary alcohol logp 3.32 ALOGPS logs -4.00 ALOGPS solubility 7.37e-02 g/l ALOGPS logp 4.7 ChemAxon pka_strongest_acidic 8.03 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 730.6245 ChemAxon mono_mass 730.153384912 ChemAxon smiles OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2=C1OC(C(C2)OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1 ChemAxon formula C37H30O16 ChemAxon inchi InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2 ChemAxon inchikey VLFKNLZNDSEVBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 287.52 ChemAxon refractivity 182.27 ChemAxon polarizability 70.34 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 66462 Specdb::CMs 765890 Specdb::CMs 765891 Specdb::CMs 765892 Specdb::CMs 765893 Specdb::CMs 765894 Specdb::CMs 765895 Specdb::CMs 765896 Specdb::CMs 765897 Specdb::CMs 765898 Specdb::CMs 765899 Specdb::CMs 765900 Specdb::CMs 765901 Specdb::CMs 765902 Specdb::CMs 765903 Specdb::CMs 765904 Specdb::CMs 765905 Specdb::CMs 765906 Specdb::CMs 765907 Specdb::CMs 765908 Specdb::CMs 765909 Specdb::CMs 765910 Specdb::CMs 765911 Specdb::CMs 765912 Specdb::CMs 765913 Specdb::MsMs 7364 Specdb::MsMs 7365 Specdb::MsMs 7366 Specdb::MsMs 9827 Specdb::MsMs 9828 Specdb::MsMs 9829 Specdb::MsMs 14036 Specdb::MsMs 14037 Specdb::MsMs 14038 Specdb::MsMs 16499 Specdb::MsMs 16500 Specdb::MsMs 16501 Specdb::MsMs 2707517 Specdb::MsMs 2707518 Specdb::MsMs 2707519 Specdb::MsMs 2998645 Specdb::MsMs 2998646 Specdb::MsMs 2998647 HMDB0037966 Black tea Type 1 Common grape Type 1 specific Vitis vinifera 29760 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442